1-Adamantanemethanol(770-71-8) IR2
Product Name1-Adamantanemethanol
CAS770-71-8
Molecular FormulaC11H18O
Molecular Weight166.26
InChIInChI=1S/C11H18O/c12-7-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10,12H,1-7H2
InChIKey MDVGOOIANLZFCP-UHFFFAOYSA-N
SmilesC12(CO)CC3CC(CC(C3)C1)C2
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MassMS-NW-2585 (1-adamantyl)methanol C11H18O (Mass of molecular ion: 166)
Source Temperature: 260 °C Sample Temperature: 170 °C Reservoir, 75 eV
27.0 1.5 29.0 1.3 31.0 1.2 39.0 2.8 41.0 4.9 53.0 1.8 55.0 3.7 65.0 1.2 67.0 6.5 69.0 1.7 77.0 3.6 79.0 16.2 80.0 1.5 81.0 5.2 91.0 3.5 92.0 1.5 93.0 15.0 94.0 1.3 105.0 1.0 107.0 5.8 135.0 100.0 136.0 11.0 166.0 3.0
90 MHz in CDCl3
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1H NMR 89.56 MHz C11 H18 O 0.042 g : 0.5 ml CDCl3 (1-adamantyl)methanol 
Assign. Shift(ppm)
A 3.193 B 1.98 C 1.69 D 1.51 J(B,D)=3.0HZ.
Hz ppm Int.286.00 3.194 1000 178.31 1.991 204 176.19 1.968 193 164.56 1.838 37 154.06 1.721 456 151.94 1.697 836 143.31 1.601 38 141.50 1.580 52 141.13 1.576 54 136.75 1.527 812 133.75 1.494 727
in CDCl3
CCl4 solution
KBr disc
nujol mull
4880 A,200 M,powder
